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PUBCHEM-ZINC06364538

MMsINC code: MMs03688631

Type: Neutral
Formula: C18H23F3N2O3
SMILES:   FC(F)(F)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1
InChI:   InChI=1/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=96.9129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.387 g/mol  logS: -4.74617  SlogP: 2.81597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203238  Sterimol/B1: 3.54519  Sterimol/B2: 4.0713  Sterimol/B3: 4.1563
  Sterimol/B4: 8.38843  Sterimol/L: 12.3982 
 
 Surface and Volume Properties
  Accessible surface: 600.226  Positive charged surface: 309.673  Negative charged surface: 290.553  Volume: 336.5
  Hydrophobic surface: 381.16  Hydrophilic surface: 219.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.